>compound Puerarin_Puerarin
#instrument UPLC Q-Tof Premier, Waters
>formula C21H20O9
#smiles OC[C@H]([C@@H](O)4)O[C@H]([C@H](O)[C@@H](O)4)c(c(O)3)c(O2)c(cc3)C(=O)C(=C2)c(c1)ccc(O)c1
#RECORD LC-ESI-QTOF_train_data/PR100251.txt;LC-ESI-QTOF_train_data/PR100673.txt
>charge 1
>ionization [M+H]+
>parentmass 417.11853

>collision 5-60
239.0742 984.0
267.0695 1831.0
268.0779 966.9
297.0803 2243.0
307.1005 514.1
321.081 609.5
351.0912 536.8
381.1027 619.3
399.1123 675.9
417.1185 2186.0

>collision 5-60
133.0313 554.2
222.0722 461.7
223.0791 510.7
224.0512 375.8
253.055 387.9
267.0684 6868.0
277.055 1001.0
295.0638 4471.0
415.1029 4921.0

